1-(2-hydroxyethyl)imidazole-4,5-diol

C5H8N2O3 — CID 141275621

IUPAC1-(2-hydroxyethyl)imidazole-4,5-diol
SMILESOCCn1cnc(O)c1O
InChIInChI=1S/C5H8N2O3/c8-2-1-7-3-6-4(9)5(7)10/h3,8-10H,1-2H2
InChIKeyRKMOQKLAJPSEOC-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.71
Rot. Bonds2

About 1-(2-hydroxyethyl)imidazole-4,5-diol

1-(2-hydroxyethyl)imidazole-4,5-diol (PubChem CID 141275621) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)imidazole-4,5-diol.

Molecular Properties

Compound Name1-(2-hydroxyethyl)imidazole-4,5-diol
PubChem CID141275621
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name1-(2-hydroxyethyl)imidazole-4,5-diol
SMILESOCCn1cnc(O)c1O
InChIInChI=1S/C5H8N2O3/c8-2-1-7-3-6-4(9)5(7)10/h3,8-10H,1-2H2
InChIKeyRKMOQKLAJPSEOC-UHFFFAOYSA-N
XLogP-0.71
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)imidazole-4,5-diol?
The IUPAC name of 1-(2-hydroxyethyl)imidazole-4,5-diol (CID 141275621) is 1-(2-hydroxyethyl)imidazole-4,5-diol.
What is the SMILES notation for 1-(2-hydroxyethyl)imidazole-4,5-diol?
The canonical SMILES for 1-(2-hydroxyethyl)imidazole-4,5-diol is OCCn1cnc(O)c1O.
What is the InChIKey of 1-(2-hydroxyethyl)imidazole-4,5-diol?
The InChIKey is RKMOQKLAJPSEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c8-2-1-7-3-6-4(9)5(7)10/h3,8-10H,1-2H2.
What are the key properties of 1-(2-hydroxyethyl)imidazole-4,5-diol?
1-(2-hydroxyethyl)imidazole-4,5-diol has a molecular weight of 144.13 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)imidazole-4,5-diol is sourced from PubChem (CID 141275621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).